| BioID | bio35834 |
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| Name | LENRISPODUN PHOSPHATE |
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| ChEMBL ID | CHEMBL3770459 |
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| Molecular Formula | C29H29FN7O5P |
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| Molecular Weight | 605.57 |
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| Molecular Weight (Monoisotopic) | 507.2183 |
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| Type | Small molecule |
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| Max Phase | Phase 1 |
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| Target ID | Tar2 |
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| Target Name | Phosphodiesterase 2A (PDE2A) |
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| Synonyms | IC 200214-12|IC200214 phosphate|ITI- 12-phosphate|ITI-002|ITI-12-Cyclo-(S,R) phosphate|ITI-214 phosphate|ITI200214-phosphate|LENRISPODUN PHOSPHATE |
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| Smiles | CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12.O=P(O)(O)O |
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| Inchi | InChI=1S/C29H26FN7O.H3O4P/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21;1-5(2,3)4/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3;(H3,1,2,3,4)/t22-,23+;/m1./s1 |
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| Inchi Key | ZPIAAFIYOPWWJL-RFPXDPOKSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 32.0 |
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| Bioactivities | 62.0 |
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| Np Likeness Score | -1.04 |
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| Records Key | ['ITI-214', '3; ITI-214', 'LENRISPODUN PHOSPHATE', 'ITI214', 'ITI214', 'ITI214', '14', 'EUB0001798aPO4', 'EUB0001798aPO4'] |
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| Records Name | ['NA', '(6aR,9aS)-5-Methyl-3-(phenylamino)-2-(4-(6-fluoropyridin-2-yl)-benzyl)-5,6a,7,8,9,9a-hexahydrocyclopent[4,5]imidazo-[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2H)-one phosphate', 'LENRISPODUN PHOSPHATE', 'ITI214', 'ITI214', 'ITI214', '(6aR,9aS)-2-(4-(6-fluoropyridin-2-yl)benzyl)-5-methyl-3-(phenylamino)-5,6a,7,8,9,9a-hexahydrocyclopenta[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2H)-one phosphate', 'ITI214', 'ITI214'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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